⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28267207 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL3076219 | 0.81 | — | — | |
| SCHEMBL28088146 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL28218445 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL9680063 | 0.80 | — | — | |
| SCHEMBL7268045 | 0.78 | — | — | |
| SCHEMBL28268018 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL27917178 | 0.78 | MAPT (0.32) | — | |
| SCHEMBL473159 | 0.78 | MAOA (0.32) | — | |
| SCHEMBL10423763 | 0.77 | ALDH1A1 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1605026-A | Electrode for active oxygen species and sensor using the electrode | MAKOTO YUASA (JP) | 2005-04-06 | — | — | CN | claimed |
| CN-1605026-A | Electrode for active oxygen species and sensor using the electrode | MAKOTO YUASA (JP) | 2005-04-06 | — | — | CN | disclosed |